3-(2-azanylethanoylamino)-5-(4-carbamimidoyl-2-methyl-phenoxy)-4,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 3-(2-azanylethanoylamino)-5-(4-carbamimidoyl-2-methyl-phenoxy)-4,6-bis(oxidanylidene)hexanoic acid Openeye Name: 3-[(2-aminoacetyl)amino]-5-(4-carbamimidoyl-2-methyl-phenoxy)-4,6-dioxo-hexanoic acid CAS Name: 3-[(2-amino-1-oxoethyl)amino]-5-(4-carbamimidoyl-2-methylphenoxy)-4,6-dioxohexanoic acid IUPAC Name: 3-[(2-aminoacetyl)amino]-5-(4-carbamimidoyl-2-methylphenoxy)-4,6-dioxohexanoic acid Traditional Name: 5-(4-amidino-2-methyl-phenoxy)-3-(glycylamino)-4,6-diketo-hexanoic acid Formula: C16H20N4O6 MolecularWeight: 364.3532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)OC(C=O)C(=O)C(CC(=O)O)NC(=O)CN

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)OC(C=O)C(=O)C(CC(=O)O)NC(=O)CN

InChI

InChI=1S/C16H20N4O6/c1-8-4-9(16(18)19)2-3-11(8)26-12(7-21)15(25)10(5-14(23)24)20-13(22)6-17/h2-4,7,10,12H,5-6,17H2,1H3,(H3,18,19)(H,20,22)(H,23,24)